9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene

C15H19NO — CID 176909638

IUPAC9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCC1(C)CC(c2ccccc2)=NC12CCCO2
InChIInChI=1S/C15H19NO/c1-14(2)11-13(12-7-4-3-5-8-12)16-15(14)9-6-10-17-15/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyYTYAVSDUKCINJT-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.41
Rot. Bonds1

About 9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene

9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene (PubChem CID 176909638) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene.

Molecular Properties

Compound Name9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
PubChem CID176909638
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCC1(C)CC(c2ccccc2)=NC12CCCO2
InChIInChI=1S/C15H19NO/c1-14(2)11-13(12-7-4-3-5-8-12)16-15(14)9-6-10-17-15/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyYTYAVSDUKCINJT-UHFFFAOYSA-N
XLogP3.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(r,s)-2,4,4-Trimethyl-5-phenyl-3,4-dihydro-2h-pyrrol-2-ol
CID 13734883
(r,s)-3,3-Dimethyl-5-phenyl-3,4-dihydro-2h-pyrrol-2-ol
CID 14638033
2,2-Dimethyl-4-phenyl-3-oxazoline
CID 20517773
7-(2-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909629
7-(4-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909633
7-(3-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909635
9,9-Dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909642
5-t-Butyl-3-phenylisoxazoline
CID 129795964
Oxazole, 2,5-dihydro-2,2-dimethyl-5-(1-methylethyl)-4-phenyl-
CID 569048
2-Benzyl-5-methoxy-3,3-dimethyl-2,4-dihydropyrrole
CID 10704000
5-(4,4-Dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 58318352
2-Ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909624

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The IUPAC name of 9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene (CID 176909638) is 9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene.
What is the SMILES notation for 9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The canonical SMILES for 9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene is CC1(C)CC(c2ccccc2)=NC12CCCO2.
What is the InChIKey of 9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The InChIKey is YTYAVSDUKCINJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-14(2)11-13(12-7-4-3-5-8-12)16-15(14)9-6-10-17-15/h3-5,7-8H,6,9-11H2,1-2H3.
What are the key properties of 9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene?
9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene has a molecular weight of 229.32 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene is sourced from PubChem (CID 176909638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).